REMARK  Name = BDB022245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.480   4.537   0.660  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        0.097   3.241   0.353  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.751   2.112   0.405  0.00  0.00    +0.145 A 
ATOM      4  C   LIG    1       -0.236   0.848   0.102  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -1.138  -0.232   0.108  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -2.485  -0.059   0.441  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -2.872   1.238   0.747  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        1.199   0.676  -0.239  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1        1.944   1.789  -0.296  0.00  0.00    +0.094 A 
ATOM     10  N   LIG    1       -2.051   2.314   0.734  0.00  0.00    -0.235 NA
ATOM     11  C   LIG    1        1.421   3.144  -0.010  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        2.192   4.098  -0.098  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -3.357  -1.161   0.387  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1       -2.883  -2.050   0.542  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -4.758  -1.241   0.214  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1       -5.505  -2.286   0.793  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1       -6.884  -2.279   0.621  0.00  0.00    +0.148 A 
ATOM     18 CL   LIG    1       -7.921  -3.492   1.271  0.00  0.00    -0.061 Cl
ATOM     19  N   LIG    1       -7.563  -1.334  -0.066  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1       -6.833  -0.344  -0.612  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -5.456  -0.255  -0.496  0.00  0.00    +0.044 A 
BRANCH  16  22
ATOM     22  C   LIG    1       -4.867  -3.323   1.537  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1       -4.289  -4.147   2.116  0.00  0.00    -0.191 NA
ENDBRANCH  16  22
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  24
ATOM     24  N   LIG    1        1.641  -0.635  -0.443  0.00  0.00    -0.331 N 
ATOM     25  H   LIG    1        1.408  -1.178   0.393  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1        2.985  -1.086  -0.908  0.00  0.00    +0.086 C 
ATOM     27  C   LIG    1        3.265  -0.539  -2.320  0.00  0.00    +0.039 C 
ATOM     28  C   LIG    1        2.919  -2.626  -1.020  0.00  0.00    +0.039 C 
BRANCH  26  29
ATOM     29  C   LIG    1        4.085  -0.752   0.116  0.00  0.00    +0.151 A 
ATOM     30  N   LIG    1        5.250  -0.231  -0.324  0.00  0.00    -0.238 NA
ATOM     31  C   LIG    1        6.173   0.065   0.611  0.00  0.00    +0.114 A 
ATOM     32  C   LIG    1        5.986  -0.145   1.956  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        4.776  -0.691   2.308  0.00  0.00    +0.114 A 
ATOM     34  N   LIG    1        3.815  -1.007   1.420  0.00  0.00    -0.238 NA
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH   8  24
TORSDOF 6